SCHEMBL5331357

SCHEMBL5331357

C/C=C\[C@H](CCCCCC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.52
FFAR1 O14842 2/20 0.52
MAPT P10636 1/20 0.50
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
HSPD1 P10809 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
NOD1 Q9Y239 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5047825 1.00 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5331360 1.00 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28737196 1.00 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL29374045 1.00 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5047820 1.00 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2962104 0.98 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL868772 0.98 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1474367 0.92 CA2 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2963668 0.92 CA2 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8488815 0.92 CA2 (0.47) GPR84FFAR1MAPTLCKPPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007039413-A CRYSTAL COMPOSED OF (2S)-2-PROPENYLOCTANOIC ACID OR (2S)-2-PROPYNYLOCTANOIC ACID AND AMINE ONO PHARMACEUT CO LTD 2007-02-15 JP disclosed